UCSF

ZINC06813077

Substance Information

In ZINC since Heavy atoms Benign functionality
April 25th, 2006 29 No

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.00 7.54 -66.94 1 6 -1 94 388.399 5
Mid Mid (pH 6-8) 3.45 -0.06 -15.41 2 6 0 90 389.407 4
Mid Mid (pH 6-8) 2.42 -0.43 -13.55 1 6 0 87 389.407 5

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )